ACCESSION: MSBNK-EPA-ENTACT_AGILENT000115
RECORD_TITLE: Dulcin; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dulcin
CH$NAME: DTXSID9020580
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂N₂O₂
CH$EXACT_MASS: 180.0898776422
CH$SMILES: CCOC1C=CC(=CC=1)NC(N)=O
CH$IUPAC: InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
CH$LINK: CAS 150-69-6
CH$LINK: INCHIKEY GGLIEWRLXDLBBF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9013

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 181.0971540939
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0bti-1900000000-08114a62ed36766a5879
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  44.01309 1.046797 10
  65.038577 10.923949 109
  80.049476 1.214247 12
  81.033491 4.032249 40
  82.065126 3.421388 34
  92.049476 9.297862 92
  93.033491 16.691998 166
  93.057301 5.7423 57
  101.002191 2.045226 20
  108.04439 99.999998 999
  108.080776 1.909623 19
  109.052215 4.639996 46
  110.06004 74.608862 745
  110.096426 1.334057 13
  136.039305 1.854827 18
  136.07569 38.035796 379
  138.09134 30.246348 302
  181.097154 4.732546 47
//